hexyl 2-(ethoxycarbonylamino)acetate

C11H21NO4 — CID 6421848

IUPAChexyl 2-(ethoxycarbonylamino)acetate
SMILESCCCCCCOC(=O)CNC(=O)OCC
InChIInChI=1S/C11H21NO4/c1-3-5-6-7-8-16-10(13)9-12-11(14)15-4-2/h3-9H2,1-2H3,(H,12,14)
InChIKeyVOUXIQBTPREJTO-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.86
Rot. Bonds8

About hexyl 2-(ethoxycarbonylamino)acetate

hexyl 2-(ethoxycarbonylamino)acetate (PubChem CID 6421848) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is hexyl 2-(ethoxycarbonylamino)acetate.

Molecular Properties

Compound Namehexyl 2-(ethoxycarbonylamino)acetate
PubChem CID6421848
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namehexyl 2-(ethoxycarbonylamino)acetate
SMILESCCCCCCOC(=O)CNC(=O)OCC
InChIInChI=1S/C11H21NO4/c1-3-5-6-7-8-16-10(13)9-12-11(14)15-4-2/h3-9H2,1-2H3,(H,12,14)
InChIKeyVOUXIQBTPREJTO-UHFFFAOYSA-N
XLogP1.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tridecyl 2-(ethoxycarbonylamino)acetate
CID 6421885
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
hexadecyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54136324
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290
undecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 91693601
ethyl 2-[2-(hexadecanoylamino)ethoxycarbonylamino]acetate
CID 22560977
butyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422793
CID 156540534
CID 156540534
4-methylpentyl 2-(butoxycarbonylamino)acetate
CID 6422769
dioctyl propanedioate;titanium
CID 174779164
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of hexyl 2-(ethoxycarbonylamino)acetate?
The IUPAC name of hexyl 2-(ethoxycarbonylamino)acetate (CID 6421848) is hexyl 2-(ethoxycarbonylamino)acetate.
What is the SMILES notation for hexyl 2-(ethoxycarbonylamino)acetate?
The canonical SMILES for hexyl 2-(ethoxycarbonylamino)acetate is CCCCCCOC(=O)CNC(=O)OCC.
What is the InChIKey of hexyl 2-(ethoxycarbonylamino)acetate?
The InChIKey is VOUXIQBTPREJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-5-6-7-8-16-10(13)9-12-11(14)15-4-2/h3-9H2,1-2H3,(H,12,14).
What are the key properties of hexyl 2-(ethoxycarbonylamino)acetate?
hexyl 2-(ethoxycarbonylamino)acetate has a molecular weight of 231.29 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-(ethoxycarbonylamino)acetate is sourced from PubChem (CID 6421848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).